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CHEBI:225861 - Asperflotone

ChEBI IDCHEBI:225861
ChEBI NameAsperflotone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O8
Net Charge0
Average Mass504.620
Monoisotopic Mass504.27232
SMILESCC(C)[C@@H](C)[C@@H](O)[C@@H]1O[C@H]2[C@H]3C(=O)[C@@](C)([C@H]2[C@@H]1C)[C@@H](O)C(=O)C1=C3[C@H](O)[C@H]2O[C@]23C[C@@H](O)CC[C@]13C
InChIInChI=1S/C28H40O8/c1-10(2)11(3)18(30)21-12(4)16-22(35-21)15-14-17(20(32)24(34)27(16,6)23(15)33)26(5)8-7-13(29)9-28(26)25(36-28)19(14)31/h10-13,15-16,18-19,21-22,24-25,29-31,34H,7-9H2,1-6H3/t11-,12+,13+,15+,16+,18-,19+,21-,22+,24+,25-,26-,27-,28-/m1/s1
InChIKeyJODFSCGPPBUGHT-GSXQHPSLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30557511)
ChEBI Ontology
Outgoing Relation(s)
Asperflotone (CHEBI:225861) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1S,3S,4R,6S,8S,11R,14R,15S,16R,17S,18R,20R)-3,8,14-trihydroxy-18-[(1R,2R)-1-hydroxy-2,3-dimethylbutyl]-11,15,17-trimethyl-5,19-dioxahexacyclo[13.5.1.02,12.04,6.06,11.016,20]henicos-2(12)-ene-13,21-dione
Manual XrefsDatabases
71115934ChemSpider